N'-hydroxy-2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]ethanimidamide

C14H20N4O3 — CID 107672471

IUPACN'-hydroxy-2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]ethanimidamide
SMILESCc1cc(O)ccc1C(=O)N1CCN(C/C(N)=N/O)CC1
InChIInChI=1S/C14H20N4O3/c1-10-8-11(19)2-3-12(10)14(20)18-6-4-17(5-7-18)9-13(15)16-21/h2-3,8,19,21H,4-7,9H2,1H3,(H2,15,16)
InChIKeyBBSRICCLHSJNGN-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.20
Rot. Bonds3

About N'-hydroxy-2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]ethanimidamide

N'-hydroxy-2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]ethanimidamide (PubChem CID 107672471) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]ethanimidamide
PubChem CID107672471
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN'-hydroxy-2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]ethanimidamide
SMILESCc1cc(O)ccc1C(=O)N1CCN(C/C(N)=N/O)CC1
InChIInChI=1S/C14H20N4O3/c1-10-8-11(19)2-3-12(10)14(20)18-6-4-17(5-7-18)9-13(15)16-21/h2-3,8,19,21H,4-7,9H2,1H3,(H2,15,16)
InChIKeyBBSRICCLHSJNGN-UHFFFAOYSA-N
XLogP0.20
TPSA102.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]ethanimidamide (CID 107672471) is N'-hydroxy-2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]ethanimidamide is Cc1cc(O)ccc1C(=O)N1CCN(C/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]ethanimidamide?
The InChIKey is BBSRICCLHSJNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-10-8-11(19)2-3-12(10)14(20)18-6-4-17(5-7-18)9-13(15)16-21/h2-3,8,19,21H,4-7,9H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]ethanimidamide?
N'-hydroxy-2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]ethanimidamide has a molecular weight of 292.34 g/mol, XLogP of 0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]ethanimidamide is sourced from PubChem (CID 107672471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).